Lattice Monte Carlo simulation with a renormalized potential in Si

R. Sahara, H. Mizuseki, K. Ohno, H. Kubo, Y. Kawazoe

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Monte Carlo (MC) simulation is carried out to study solidification of Si by a BCC lattice-gas model. To describe actual Si phases as quantitatively as possible, the Tersoff Si potential is mapped onto the BCC model by using the potential renormalization technique proposed by one of us. Using the renormalized potential, thermal properties are obtained for four plausible Si structures. The solidification process is studied by MC simulation. It is shown that calculation of the thermal properties of Si is greatly improved by using the lattice model with a renormalized potential.

Original languageEnglish
Pages (from-to)610-614
Number of pages5
JournalJournal of Crystal Growth
Volume229
Issue number1
DOIs
Publication statusPublished - 2001 Jul 2

Keywords

  • A1. Computer simulation
  • A1. Solidification
  • A2. Growth from melt
  • B2. Semiconducting silicon

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Inorganic Chemistry
  • Materials Chemistry

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